>compound Quercetin_Quercetin
#instrument UPLC Q-Tof Premier, Waters
>formula C15H10O7
#smiles Oc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
#RECORD LC-ESI-QTOF_train_data/PR100233.txt;LC-ESI-QTOF_train_data/PR100646.txt
>charge 1
>ionization [M+H]+
>parentmass 303.05045

>collision 5-60
137.0241 9.99
153.0195 14.62
229.0485 12.37
303.0504 103.6

>collision 5-60
65.005 11.68
83.0142 9.651
107.0138 23.12
121.0301 17.18
149.0228 6.274
151.0036 54.04
160.8948 5.932
178.999 24.47
282.9939 5.377
300.785 6.334
301.0349 102.7

